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189949-13-1 | 6-Phenanthridinepropanoic acid, ethyl ester, 5-oxide
CAS No: 189949-13-1 Catalog No: AG002E5L MDL No:
Product Description
Catalog Number:
AG002E5L
Chemical Name:
6-Phenanthridinepropanoic acid, ethyl ester, 5-oxide
CAS Number:
189949-13-1
Molecular Formula:
C18H17NO3
Molecular Weight:
295.3325
IUPAC Name:
ethyl 3-(5-oxidophenanthridin-5-ium-6-yl)propanoate
InChI:
InChI=1S/C18H17NO3/c1-2-22-18(20)12-11-17-15-8-4-3-7-13(15)14-9-5-6-10-16(14)19(17)21/h3-10H,2,11-12H2,1H3
InChI Key:
IXIQGYRKDZIEPT-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCc1[n+]([O-])c2ccccc2c2c1cccc2
Properties
Complexity:
387
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.121g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
295.338g/mol
Monoisotopic Mass:
295.121g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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